S664-6451 Screening compound: 2-{[7-(2,5-difluorobenzoyl)-7-azaspiro[3.5]nonan-1-yl]oxy}acetamide

S664-6451 Screening compound: 2-{[7-(2,5-difluorobenzoyl)-7-azaspiro[3.5]nonan-1-yl]oxy}acetamide
S664-6451 Screening compound: 2-{[7-(2,5-difluorobenzoyl)-7-azaspiro[3.5]nonan-1-yl]oxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S664-6451
2-{[7-(2,5-difluorobenzoyl)-7-azaspiro[3.5]nonan-1-yl]oxy}acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S664-6451

Molecular Formula

C17H20F2N2O3 (C17 H20 F2 N2 O3)

Compound Name

2-{[7-(2,5-difluorobenzoyl)-7-azaspiro[3.5]nonan-1-yl]oxy}acetamide

IUPAC name

2-{[7-(25-difluorobenzoyl)-7-azaspiro[3.5]nonan-1-yl]oxy}acetamide

SMILES

NC(COC(CC1)C1(CC1)CCN1C(c(cc(cc1)F)c1F)=O)=O

InChI

InChI=1S/C17H20F2N2O3/c18-11-1-2-13(19)12(9-11)16(23)21-7-5-17(6-8-21)4-3-14(17)24-10-15(20)22/h1-2,9,14H,3-8,10H2,(H2,20,22)/t14-/m0/s1

InChI Key

VJPICYDJVLNVLU-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD30459360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.973

Distribution Coefficient, logD

0.973

Water Solubility, LogSw

-2.08

Polar Surface Area

57.482

Acid Dissociation Constant (pKa)

15.62

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.94

S664-6451 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S664-6451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S664-6451?
Check Price and Availability of S664-6451, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S664-6451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S664-6451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S664-6451
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S664-6451 available by request